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Home > Other Heterocycles > 139748-18-8
139748-18-8 | 1-Azabicyclo[3.2.0]heptan-7-one, 3-(hydroxymethyl)-, (3R-cis)- (9CI)
CAS No: 139748-18-8 Catalog No: AG001BN9 MDL No:
Product Description
Catalog Number:
AG001BN9
Chemical Name:
1-Azabicyclo[3.2.0]heptan-7-one, 3-(hydroxymethyl)-, (3R-cis)- (9CI)
CAS Number:
139748-18-8
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
(3R,5S)-3-(hydroxymethyl)-1-azabicyclo[3.2.0]heptan-7-one
InChI:
InChI=1S/C7H11NO2/c9-4-5-1-6-2-7(10)8(6)3-5/h5-6,9H,1-4H2/t5-,6+/m1/s1
InChI Key:
KEPDSXDHKHNILW-RITPCOANSA-N
SMILES:
OC[C@@H]1C[C@@H]2N(C1)C(=O)C2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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